SCHEMBL4004170

SCHEMBL4004170

Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)c2cccnc2)CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.37
EGFR P00533 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RORC P51449 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3999745 0.90 FPR2 (0.39) MAPTALDH1A1LMNA
SCHEMBL4009205 0.89 ITGB1 (0.38) MAPT
SCHEMBL4006080 0.84 CYP3A4 (0.39) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL4005126 0.83 HSD11B1 (0.34) MAPTKDM4EALDH1A1
SCHEMBL4010793 0.83 GRM5 (0.42) KMT2APTGS2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4010548 0.83 HSD11B1 (0.38)
SCHEMBL4006907 0.83 MEN1 (0.41) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4005617 0.83 ITGB1 (0.36) MAPTKDM4E
SCHEMBL4002243 0.83 ALDH1A1 (0.37) MAPTKDM4EMEN1KMT2APTGS2
SCHEMBL4009200 0.82 ABCB1 (0.40) MEN1KMT2AALDH1A1LMNARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed